#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1myn s LEU 3 N -3.56 4.33 0.88 0.00 1.43 -1.26 0.04 118.68 120.54 1myn s LEU 3 Ca 0.27 0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.39 1myn s LEU 3 Cb 0.02 -2.89 0.12 0.00 0.03 0.00 0.00 46.19 43.47 1myn s LEU 3 CO 0.18 -0.01 1.10 -0.55 0.23 0.00 0.00 176.35 177.30 1myn s SER 4 N -3.58 3.54 -0.09 2.29 0.15 -0.97 -4.74 113.70 110.30 1myn s SER 4 Ca 0.34 1.72 0.08 0.00 0.70 0.00 0.00 55.95 58.79 1myn s SER 4 Cb -0.10 -2.36 -0.11 0.00 -1.71 0.00 0.00 66.02 61.74 1myn s SER 4 CO 0.29 -2.63 0.02 0.61 1.20 0.00 0.00 173.24 172.73 1myn n GLY 5 N -0.80 -0.43 0.11 9.45 0.00 -1.26 -4.66 105.19 107.60 1myn n GLY 5 Ca 0.08 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 1myn n GLY 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1myn n ARG 6 N -2.37 0.68 -2.17 1.61 1.74 -1.26 -4.94 116.66 109.95 1myn n ARG 6 Ca -0.15 0.13 -0.37 0.00 -0.77 0.00 0.00 57.85 56.69 1myn n ARG 6 Cb 0.79 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 1myn n ARG 6 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1myn s TYR 7 N -2.53 2.74 0.10 -1.55 6.14 -1.26 -5.03 117.35 115.95 1myn s TYR 7 Ca -0.17 1.51 -0.22 0.00 0.64 0.00 0.00 57.07 58.83 1myn s TYR 7 Cb 0.07 -3.44 0.06 0.00 0.42 0.00 0.00 41.96 39.07 1myn s TYR 7 CO 0.76 -1.76 0.55 -1.59 0.64 0.00 0.00 175.55 174.14 1myn s LYS 8 N -2.83 1.15 0.00 4.97 -2.85 -1.26 -4.87 119.74 114.05 1myn s LYS 8 Ca 0.67 -0.37 0.00 0.00 -1.00 0.00 0.00 55.97 55.26 1myn s LYS 8 Cb -0.30 0.52 0.00 0.00 -2.06 0.00 0.00 37.83 35.99 1myn s LYS 8 CO 0.36 -0.46 0.00 0.41 0.10 0.00 0.00 175.35 175.76 1myn n GLY 9 N 0.01 -1.28 3.75 0.59 0.00 -1.26 -4.96 105.19 102.04 1myn n GLY 9 Ca -0.17 -2.23 -0.40 0.00 0.00 0.00 0.00 46.02 43.22 1myn n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1myn s PRO 10 N -0.74 4.83 -0.33 1.61 0.04 -1.26 -4.78 135.00 134.37 1myn s PRO 10 Ca 0.00 1.52 -0.05 0.00 0.04 0.00 0.00 61.00 62.51 1myn s PRO 10 Cb 0.00 -3.26 0.04 0.00 0.04 0.00 0.00 34.50 31.33 1myn s PRO 10 CO 0.00 0.48 0.08 0.00 0.04 0.00 0.00 177.00 177.59 1myn n ALA 12 N 4.75 0.00 0.22 0.00 0.00 -1.26 -3.95 120.51 120.27 1myn n ALA 12 Ca -0.12 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.39 1myn n ALA 12 Cb 0.44 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.30 1myn n ALA 12 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1myn h VAL 13 N 0.78 0.00 -0.27 0.00 -1.51 -1.98 0.24 116.25 113.51 1myn h VAL 13 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1myn h VAL 13 Cb 0.00 0.34 0.00 0.00 -2.13 0.00 0.00 31.29 29.50 1myn h VAL 13 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 177.57 173.67 1myn n TRP 14 N -2.28 0.34 0.05 5.19 2.14 -1.26 -4.37 117.44 117.25 1myn n TRP 14 Ca -0.01 -0.18 0.02 0.00 2.07 0.00 0.00 57.50 59.39 1myn n TRP 14 Cb 0.44 -0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.91 1myn n TRP 14 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1myn n ASP 15 N 1.34 2.86 -0.25 -0.67 8.00 0.82 -4.80 116.55 123.85 1myn n ASP 15 Ca 0.17 -0.20 -0.06 0.00 0.71 0.00 0.00 54.79 55.40 1myn n ASP 15 Cb 0.57 1.09 -0.06 0.00 -0.02 0.00 0.00 41.12 42.70 1myn n ASP 15 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1myn n ASN 16 N -1.43 -0.62 -0.18 -2.24 0.23 -1.11 0.36 115.26 110.27 1myn n ASN 16 Ca -0.00 1.21 -0.01 0.00 -0.53 0.00 0.00 54.58 55.25 1myn n ASN 16 Cb 0.07 -0.22 0.09 0.00 -2.08 0.00 0.00 39.78 37.64 1myn n ASN 16 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1myn h GLU 17 N 0.00 0.32 -0.93 -3.83 4.57 -1.90 -1.34 114.58 111.47 1myn h GLU 17 Ca 0.09 -0.02 0.13 0.00 -1.18 0.00 0.00 59.36 58.39 1myn h GLU 17 Cb 0.24 -0.07 -0.14 0.00 -0.16 0.00 0.00 28.75 28.61 1myn h GLU 17 CO -0.55 0.21 -0.40 2.41 -1.18 0.00 0.00 179.01 179.50 1myn n THR 18 N -5.04 -0.52 -0.01 0.32 -1.04 0.16 0.23 114.28 108.38 1myn n THR 18 Ca 0.07 2.19 -0.12 0.00 -2.04 0.00 0.00 64.05 64.16 1myn n THR 18 Cb 0.25 -2.86 -0.05 0.00 -1.82 0.00 0.00 70.33 65.85 1myn n THR 18 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1myn h ARG 20 N -0.45 0.50 0.37 0.00 2.43 -0.00 0.29 114.38 117.52 1myn h ARG 20 Ca 0.09 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1myn h ARG 20 Cb 0.60 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1myn h ARG 20 CO -0.40 0.33 -0.18 0.00 -1.51 0.00 0.00 179.97 178.21 1myn h ARG 21 N 0.52 -0.48 -0.69 0.20 3.08 0.70 -1.38 114.38 116.32 1myn h ARG 21 Ca 0.66 0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.78 1myn h ARG 21 Cb 1.34 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 31.46 1myn h ARG 21 CO -0.49 -0.23 0.43 0.28 -1.07 0.00 0.00 179.97 178.89 1myn h VAL 22 N -1.06 1.09 -0.17 2.04 2.07 0.16 0.35 116.25 120.72 1myn h VAL 22 Ca -0.05 -0.29 -0.11 0.00 0.82 0.00 0.00 66.70 67.07 1myn h VAL 22 Cb 0.47 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1myn h VAL 22 CO 0.08 0.15 -0.38 0.00 0.02 0.00 0.00 177.57 177.45 1myn h LYS 24 N 0.32 0.86 -0.21 0.00 3.64 -0.07 0.13 116.57 121.24 1myn h LYS 24 Ca 0.03 -0.31 0.05 0.00 -1.27 0.00 0.00 60.65 59.16 1myn h LYS 24 Cb 0.82 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.50 1myn h LYS 24 CO 0.07 0.94 -0.36 0.93 -2.27 0.00 0.00 179.45 178.75 1myn h GLU 25 N 0.71 -0.38 -0.79 1.90 4.39 0.39 0.57 114.58 121.36 1myn h GLU 25 Ca 0.12 0.03 0.17 0.00 0.34 0.00 0.00 59.36 60.02 1myn h GLU 25 Cb 0.59 0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 29.27 1myn h GLU 25 CO 0.04 -0.25 0.53 1.49 -1.16 0.00 0.00 179.01 179.65 1myn h GLU 26 N -0.39 0.38 0.00 2.33 4.22 -0.99 -3.45 114.58 116.67 1myn h GLU 26 Ca 0.11 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.53 1myn h GLU 26 Cb 0.58 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1myn h GLU 26 CO -0.42 0.25 0.00 0.41 -2.18 0.00 0.00 179.01 177.07 1myn n GLY 27 N -1.53 1.58 0.00 1.92 0.00 0.20 -5.12 105.19 102.24 1myn n GLY 27 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1myn n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1myn n ARG 28 N -0.27 2.09 -0.08 1.61 3.00 0.37 -4.99 116.66 118.39 1myn n ARG 28 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.85 57.71 1myn n ARG 28 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.38 1myn n ARG 28 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1myn h SER 29 N 0.00 0.00 -5.31 0.55 0.87 -1.62 -3.42 113.55 104.61 1myn h SER 29 Ca 0.00 -0.49 0.23 0.00 -1.23 0.00 0.00 61.79 60.30 1myn h SER 29 Cb 0.00 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 61.85 1myn h SER 29 CO 0.00 1.07 0.63 -0.44 -0.53 0.00 0.00 176.83 177.56 1myn s SER 30 N -6.28 -0.15 -0.02 6.23 0.01 -1.24 -4.81 113.70 107.45 1myn s SER 30 Ca -0.19 -0.23 0.03 0.00 1.31 0.00 0.00 55.95 56.86 1myn s SER 30 Cb 0.02 0.33 -0.03 0.00 0.21 0.00 0.00 66.02 66.55 1myn s SER 30 CO 0.47 -0.60 -0.07 -0.83 0.41 0.00 0.00 173.24 172.62 1myn s GLY 31 N -2.84 1.74 0.05 3.44 0.00 -1.25 0.08 107.32 108.53 1myn s GLY 31 Ca 0.12 -0.98 0.09 0.00 0.00 0.00 0.00 44.72 43.94 1myn s GLY 31 CO -0.02 -0.82 -0.25 0.30 0.00 0.00 0.00 173.10 172.31 1myn s HIS 32 N -0.94 2.23 0.20 1.90 3.76 0.10 -3.94 115.29 118.61 1myn s HIS 32 Ca 0.16 -0.41 -0.05 0.00 -0.15 0.00 0.00 55.06 54.61 1myn s HIS 32 Cb -0.11 -1.33 -0.06 0.00 1.11 0.00 0.00 32.58 32.19 1myn s HIS 32 CO 0.06 0.12 0.46 0.00 -0.85 0.00 0.00 174.74 174.53 1myn s SER 34 N -2.69 5.70 0.52 0.00 0.15 0.71 -4.95 113.70 113.14 1myn s SER 34 Ca 0.43 0.01 0.25 0.00 0.70 0.00 0.00 55.95 57.34 1myn s SER 34 Cb -0.11 -1.57 1.37 0.00 -1.71 0.00 0.00 66.02 64.00 1myn s SER 34 CO 0.26 0.13 1.97 -0.65 1.20 0.00 0.00 173.24 176.15 1myn h PRO 35 N 2.93 0.05 -1.66 5.44 0.11 -1.91 -2.08 132.00 134.89 1myn h PRO 35 Ca -0.47 -0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.34 1myn h PRO 35 Cb 1.18 -0.01 -0.12 0.00 0.11 0.00 0.00 31.00 32.15 1myn h PRO 35 CO 0.67 0.03 0.33 0.43 -0.21 0.00 0.00 178.00 179.25 1myn n SER 36 N -4.37 6.29 -4.17 -2.05 7.64 -1.26 -4.81 113.62 110.89 1myn n SER 36 Ca 0.12 -2.98 -0.40 0.00 1.01 0.00 0.00 58.87 56.62 1myn n SER 36 Cb 0.66 -1.10 -0.03 0.00 -1.01 0.00 0.00 64.21 62.72 1myn n SER 36 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1myn n LEU 37 N 0.63 -0.45 -4.24 -3.43 7.99 -0.78 -4.84 117.00 111.88 1myn n LEU 37 Ca 0.29 -1.27 -0.13 0.00 -0.01 0.00 0.00 56.01 54.89 1myn n LEU 37 Cb 0.58 -1.54 -0.10 0.00 -0.11 0.00 0.00 43.42 42.25 1myn n LEU 37 CO 0.32 0.66 -0.38 -0.75 -1.51 0.00 0.00 177.39 175.73 1myn s LYS 38 N -7.38 1.04 -0.28 3.23 2.47 -1.23 -0.90 119.74 116.69 1myn s LYS 38 Ca 0.28 -1.46 0.02 0.00 -1.56 0.00 0.00 55.97 53.24 1myn s LYS 38 Cb -0.15 -0.46 0.06 0.00 -1.46 0.00 0.00 37.83 35.82 1myn s LYS 38 CO 0.96 -0.00 -0.06 0.00 0.16 0.00 0.00 175.35 176.41 1myn s TRP 40 N 1.11 3.36 -0.08 0.00 0.52 -0.55 -2.29 118.94 121.01 1myn s TRP 40 Ca -0.05 0.12 0.02 0.00 0.02 0.00 0.00 56.10 56.20 1myn s TRP 40 Cb -0.20 -1.65 -0.02 0.00 -1.15 0.00 0.00 33.47 30.45 1myn s TRP 40 CO -0.04 0.54 -0.12 0.00 0.02 0.00 0.00 176.95 177.34 1myn s GLU 42 N -0.34 3.90 0.00 0.00 2.12 0.11 -1.70 118.70 122.80 1myn s GLU 42 Ca 0.03 -0.36 0.00 0.00 0.36 0.00 0.00 54.97 55.01 1myn s GLU 42 Cb -0.13 -3.44 0.00 0.00 0.26 0.00 0.00 34.13 30.83 1myn s GLU 42 CO 0.02 -0.02 0.00 0.41 -0.54 0.00 0.00 175.26 175.13 1myn n GLY 43 N 4.49 0.05 0.93 -1.50 0.00 -1.26 -1.81 105.19 106.09 1myn n GLY 43 Ca -0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.99 1myn n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32